2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride

C10H13Cl2NO — CID 141041521

IUPAC2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
SMILESCC(C)(C(N)=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H12ClNO.ClH/c1-10(2,9(12)13)7-3-5-8(11)6-4-7;/h3-6H,1-2H3,(H2,12,13);1H
InChIKeyDEZFSJDCQZRTAD-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.52
Rot. Bonds2

About 2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride

2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride (PubChem CID 141041521) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
PubChem CID141041521
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
SMILESCC(C)(C(N)=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H12ClNO.ClH/c1-10(2,9(12)13)7-3-5-8(11)6-4-7;/h3-6H,1-2H3,(H2,12,13);1H
InChIKeyDEZFSJDCQZRTAD-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminophenyl)-2-methylpropanamide;hydrochloride
CID 155973359
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
CID 71939020
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119625738
3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide
CID 57226302
2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide
CID 121494417
3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid
CID 150243688
2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanamide
CID 23499856
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide
CID 97057512
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride (CID 141041521) is 2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride is CC(C)(C(N)=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride?
The InChIKey is DEZFSJDCQZRTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO.ClH/c1-10(2,9(12)13)7-3-5-8(11)6-4-7;/h3-6H,1-2H3,(H2,12,13);1H.
What are the key properties of 2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride?
2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 141041521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).